N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide

C17H26N4O2 — CID 50962662

IUPACN-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide
SMILESCC1(C)CNC(=O)c2nc(CC(=O)NC3CCCCC3)[nH]c2C1
InChIInChI=1S/C17H26N4O2/c1-17(2)9-12-15(16(23)18-10-17)21-13(20-12)8-14(22)19-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyAFIJGFQYXZUHNS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.71
Rot. Bonds3

About N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide

N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide (PubChem CID 50962662) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide
PubChem CID50962662
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide
SMILESCC1(C)CNC(=O)c2nc(CC(=O)NC3CCCCC3)[nH]c2C1
InChIInChI=1S/C17H26N4O2/c1-17(2)9-12-15(16(23)18-10-17)21-13(20-12)8-14(22)19-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyAFIJGFQYXZUHNS-UHFFFAOYSA-N
XLogP1.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50982143
N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
CID 67235347
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-cyclohexyl-2-pyridazin-4-ylacetamide
CID 166816076
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50985638
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168691
N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide
CID 10968088

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide (CID 50962662) is N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide is CC1(C)CNC(=O)c2nc(CC(=O)NC3CCCCC3)[nH]c2C1.
What is the InChIKey of N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide?
The InChIKey is AFIJGFQYXZUHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2)9-12-15(16(23)18-10-17)21-13(20-12)8-14(22)19-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide?
N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide is sourced from PubChem (CID 50962662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).